BDBM13589 (4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5-(tetrahydro-furan-3- yloxy)-phenyl]-acetic acid::2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoro-3-(oxolan-3-yloxy)phenyl]acetic acid::phenylglycine derivative 4

SMILES: CCOc1cc(OC2CCOC2)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O

InChI Key: InChIKey=PGYOHIAQCFZQDK-UHFFFAOYSA-N

Data: 4 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 13589   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor VII (Homo sapiens (human))	BDBM13589 ((4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5...) Show SMILES CCOc1cc(OC2CCOC2)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	88	-9.52	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin (Bos taurus (bovine))	BDBM13589 ((4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5...) Show SMILES CCOc1cc(OC2CCOC2)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair
Coagulation factor X/antithrombin III (Homo sapiens (human))	BDBM13589 ((4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5...) Show SMILES CCOc1cc(OC2CCOC2)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM13589 ((4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5...) Show SMILES CCOc1cc(OC2CCOC2)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	7.10E+3	-6.95	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair